SCHEMBL13973703

SCHEMBL13973703

C[C@H](CCCNC(=N)N)C(=O)Nc1ccc(OCCNC(=N)N)c(C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.40
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ S1PR1 P21453 2/20 0.35
▸ C5 P01031 1/20 0.35
▸ KCNB1 Q14721 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNA5 P22460 3/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ KCNK2 O95069 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13973873 0.90 LMNA (0.42) HSD17B10MAPTKDM4EC5LMNA
SCHEMBL19445850 0.82 NPC1 (0.42) HSD17B10HTTMAPTKDM4EALDH1A1
SCHEMBL10261261 0.81 NPY4R (0.39) S1PR1KCNB1KCNA5KCNH2KCNK2
SCHEMBL10262558 0.81 NPY4R (0.39) S1PR1KCNB1KCNA5KCNH2KCNK2
SCHEMBL13973798 0.81 ALDH1A1 (0.37) HTTC5KCNB1ALDH1A1LMNA
SCHEMBL19445848 0.81 CA1 (0.42) HSD17B10HTTALDH1A1TSHRKMT2A
SCHEMBL10261776 0.80 NPY4R (0.40) KCNB1TSHRKCNA5
SCHEMBL10262542 0.80 NPY4R (0.40) KCNB1TSHRKCNA5
SCHEMBL19214480 0.80 NPY4R (0.38) S1PR1KCNB1KCNA5KCNH2CA1
SCHEMBL10262551 0.80 NPY4R (0.40) KCNB1TSHRKCNA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802683-B2 Compounds for use in treatment of mucositis CELLCEUTIX CORPORATION (US) 2014-08-12 — — US disclosed
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis POLYMEDIX, INC. (US) 2012-11-22 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120295922-A1 Compounds For Use In Treatment Of Mucositis MUC1, FUT6, MMP8 HSD17B10 3446/4885HTT 4522/4885MAPT 4736/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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